Vitas-M small molecule compound
3-[(3E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-en-1-yl]-5-bromo-3-hydroxy-1-propyl-1,3-dihydro-2H-indol-2-one
Catalog ID
STK214558
SMILES CCCN1c2ccc(cc2C(C1=O)(O)CC(=O)/C=C/c1ccc2c(c1)OCO2)Br
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C22H20BrNO5 MW 458.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrNO5/c1-2-9-24-18-7-5-15(23)11-17(18)22(27,21(24)26)12-16(25)6-3-14-4-8-19-20(10-14)29-13-28-19/h3-8,10-11,27H,2,9,12-13H2,1H3/b6-3+InChIKey
FPPGRUWQNWHUSA-ZZXKWVIFSA-NSynonyms
688038-45-13((3E)4(13BENZODIOXOL5YL)2OXOBUT3EN1YL)5BROMO3HYDROXY1PROPYL13DIHYDRO2HINDOL2ONE
3((3E)4(2HBENZO(34D)13DIOXOLAN5YL)2OXOBUT3ENYL)5BROMO3HYDROXY1PROPYLINDOLIN2ONE
3((E)4(13BENZODIOXOL5YL)2OXOBUT3ENYL)5BROMO3HYDROXY1PROPYLINDOL2ONE
688038451
CCCN1C2=C(C=C(C=C2)Br)C(C1=O)(CC(=O)C=CC3=CC4=C(C=C3)OCO4)O
CCCN1c2ccc(cc2C(C1=O)(O)CC(=O)C=Cc1ccc2c(c1)OCO2)Br
InChI=1SC22H20BrNO5c12924187515(23)1117(18)22(2721(24)26)1216(25)6314481920(1014)29132819h38101127H291213H21H3b63+
MFCD03835655
ZINC000010059114
ZINC000010059115
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